NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 S 4.5029 8.3349 116.7950 58.1077 65.1877 174.7637 24 D 4.6400 7.5269 119.9183 51.0410 43.1140 173.0565 25 P 4.2257 0.0000 0.0000 65.4261 32.6507 177.3700 26 L 3.8797 7.9283 118.2485 58.1716 42.0934 178.7186 27 A 3.9691 7.9308 120.0111 55.3249 18.3669 179.5777 28 V 3.7358 8.2597 117.8117 65.4683 31.5149 178.0837 29 A 3.9676 8.5056 120.8088 54.8282 18.1939 179.5022 30 A 3.9232 7.9698 119.5524 55.2323 18.4113 179.9494 31 S 4.0340 8.0432 112.6958 61.8201 63.0873 176.4409 32 I 3.6688 7.9329 123.1503 63.5045 37.6547 177.8446 33 I 3.8300 7.9748 120.8504 64.1239 36.8603 178.6656 34 G 3.5855 8.1057 106.4946 47.8901 0.0000 175.6790 35 I 3.7078 7.8381 123.1027 64.0240 37.1595 178.3665 36 L 3.9957 8.1249 121.0032 58.1777 41.8220 178.5455 37 H 4.2936 8.3287 118.3324 59.3228 29.8638 177.3414 38 L 3.9590 8.0767 120.8084 57.8023 41.4763 179.6022 39 I 3.7495 7.9371 119.7297 64.4776 37.0626 178.5772 40 L 4.0253 8.1828 119.8973 57.3339 41.4120 179.3189 41 W 4.0050 8.4409 128.3202 60.5587 30.7365 178.0820 42 I 3.7119 8.1612 119.5947 64.2790 36.4309 178.1393 43 L 3.9376 7.7465 119.5950 58.3519 42.0673 177.9322 44 D 4.3821 7.8268 116.4625 57.3647 40.8068 178.0682 45 R 3.6474 7.5657 118.8138 60.2659 30.7067 175.2019 46 L 4.6481 8.2127 127.8474 57.9756 42.5320 176.2573 47 F 3.9013 9.1257 127.7526 58.3019 38.4415 174.4082 48 F 4.0602 7.8998 118.4084 60.2517 37.2872 175.9024 49 K 3.8200 7.8314 129.7521 56.7308 31.9606 176.8048 50 S 4.3529 7.9626 116.6406 62.6529 62.8139 174.6653 51 I 3.6822 7.2938 122.1347 65.0925 36.9062 177.6002 52 Y 4.1845 7.9974 119.9703 60.4241 38.5926 178.1108 53 R 3.7619 8.5492 119.7634 59.1748 30.2634 178.9808 54 F 3.8257 8.3832 117.1073 60.4218 38.8984 177.3468 55 F 4.1032 8.3988 120.3421 61.2723 38.9652 176.6824 56 E 3.6520 7.7757 117.5452 58.6527 29.4898 178.2124 57 H 4.4526 7.8401 116.8675 58.8689 28.6054 177.9500 58 G 3.5477 7.8884 106.1130 46.7323 0.0000 173.9490 59 L 4.2969 7.0700 123.5859 55.6654 43.2871 177.0529 *60 K 4.0487 7.4087 124.6538 54.3027 32.4256 178.1263 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 23 S 8.33 4.50 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.53 4.64 0.00 2.74 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.23 0.00 2.15 2.12 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 26 L 7.93 3.88 0.00 1.75 1.66 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 27 A 7.93 3.97 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 8.26 3.74 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.97 0.00 0.00 29 A 8.51 3.97 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 7.97 3.92 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.04 4.03 0.00 4.08 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 7.93 3.67 1.92 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.99 0.00 0.00 33 I 7.97 3.83 2.12 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.62 0.91 0.00 0.00 34 G 8.11 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 7.84 3.71 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.89 0.92 0.00 0.00 36 L 8.12 4.00 0.00 1.88 1.70 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 H 8.33 4.29 0.00 3.43 3.47 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.08 3.96 0.00 1.77 1.70 0.86 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.94 3.75 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.08 0.93 0.00 0.00 40 L 8.18 4.03 0.00 1.92 1.77 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 W 8.44 4.01 0.00 3.56 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.16 3.71 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.16 0.98 0.00 0.00 43 L 7.75 3.94 0.00 1.69 1.72 0.65 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.83 4.38 0.00 2.63 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.57 3.65 0.00 1.50 1.82 0.00 2.83 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.33 0.00 46 L 8.21 4.65 0.00 1.83 1.44 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 9.13 3.90 0.00 3.33 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 F 7.90 4.06 0.00 2.71 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.83 3.82 0.00 1.89 1.77 0.00 1.06 0.00 0.00 1.40 0.00 0.00 2.48 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.30 0.99 7.81 50 S 7.96 4.35 0.00 4.28 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 I 7.29 3.68 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.65 0.89 0.00 0.00 52 Y 8.00 4.18 0.00 3.04 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 R 8.55 3.76 0.00 2.21 1.91 0.00 3.60 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.07 0.00 54 F 8.38 3.83 0.00 3.09 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 F 8.40 4.10 0.00 3.17 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.78 3.65 0.00 1.36 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.19 0.00 57 H 7.84 4.45 0.00 3.20 3.15 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.89 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.07 4.30 0.00 0.93 1.19 0.74 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *60 K 7.41 4.05 0.00 1.46 1.55 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.40 7.81 * Residues marked with a * may have inaccurate shift predictions.